3-(4-methylphenyl)-1,2-diphenylnaphthalene

C29H22 — CID 178068265

IUPAC3-(4-methylphenyl)-1,2-diphenylnaphthalene
SMILESCc1ccc(-c2cc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H22/c1-21-16-18-22(19-17-21)27-20-25-14-8-9-15-26(25)28(23-10-4-2-5-11-23)29(27)24-12-6-3-7-13-24/h2-20H,1H3
InChIKeyFHMRGUOGTZDXQF-UHFFFAOYSA-N
MW370.50 g/mol
LogP8.15
Rot. Bonds3

About 3-(4-methylphenyl)-1,2-diphenylnaphthalene

3-(4-methylphenyl)-1,2-diphenylnaphthalene (PubChem CID 178068265) has the molecular formula C29H22 and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2-diphenylnaphthalene.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2-diphenylnaphthalene
PubChem CID178068265
Molecular FormulaC29H22
Molecular Weight370.50 g/mol
Exact Mass370.17
IUPAC Name3-(4-methylphenyl)-1,2-diphenylnaphthalene
SMILESCc1ccc(-c2cc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H22/c1-21-16-18-22(19-17-21)27-20-25-14-8-9-15-26(25)28(23-10-4-2-5-11-23)29(27)24-12-6-3-7-13-24/h2-20H,1H3
InChIKeyFHMRGUOGTZDXQF-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[8-(4-methylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 144837262
1,4-bis(4-methylphenyl)-2,3-diphenylbenzene
CID 123305097
9-(4-methylphenyl)-10-[8-(4-phenylphenyl)naphthalen-2-yl]anthracene
CID 144837228
N-bis(4-methylphenyl)phosphanyl-1-[2-[bis(4-methylphenyl)phosphanylamino]-3-phenylnaphthalen-1-yl]-3-phenylnaphthalen-2-amine
CID 10191150
9-anthracen-9-ylanthracene;toluene
CID 86148014
9-[2-(4-methylphenyl)phenyl]phenanthrene
CID 140958639
2-methyl-4-(4-methylphenyl)-1-phenylnaphthalene
CID 46919083
2-chloro-1,3-diphenylnaphthalene
CID 12697982
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
13-hydroxy-10,16-bis(4-methylphenyl)-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 23110717
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
9-(4-methylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene
CID 123303809

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2-diphenylnaphthalene?
The IUPAC name of 3-(4-methylphenyl)-1,2-diphenylnaphthalene (CID 178068265) is 3-(4-methylphenyl)-1,2-diphenylnaphthalene.
What is the SMILES notation for 3-(4-methylphenyl)-1,2-diphenylnaphthalene?
The canonical SMILES for 3-(4-methylphenyl)-1,2-diphenylnaphthalene is Cc1ccc(-c2cc3ccccc3c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2-diphenylnaphthalene?
The InChIKey is FHMRGUOGTZDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22/c1-21-16-18-22(19-17-21)27-20-25-14-8-9-15-26(25)28(23-10-4-2-5-11-23)29(27)24-12-6-3-7-13-24/h2-20H,1H3.
What are the key properties of 3-(4-methylphenyl)-1,2-diphenylnaphthalene?
3-(4-methylphenyl)-1,2-diphenylnaphthalene has a molecular weight of 370.50 g/mol, XLogP of 8.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1,2-diphenylnaphthalene is sourced from PubChem (CID 178068265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).